2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

C20H28N2O4 — CID 109139753

IUPAC2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-14-9-10-18(26-2)17(11-14)22-20(24)16-12-15(16)19(23)21-13-7-5-3-4-6-8-13/h9-11,13,15-16H,3-8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLXTGGPRESRORHY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.12
Rot. Bonds6

About 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139753) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139753
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-14-9-10-18(26-2)17(11-14)22-20(24)16-12-15(16)19(23)21-13-7-5-3-4-6-8-13/h9-11,13,15-16H,3-8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLXTGGPRESRORHY-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
N-(2,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368854
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109139753) is 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(OC)c(NC(=O)C2CC2C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LXTGGPRESRORHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-14-9-10-18(26-2)17(11-14)22-20(24)16-12-15(16)19(23)21-13-7-5-3-4-6-8-13/h9-11,13,15-16H,3-8,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).